2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride

C15H25ClN2O2 — CID 119930822

IUPAC2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride
SMILESCOc1ccc(CN(C)CC2CCCNC2)cc1O.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-17(11-13-4-3-7-16-9-13)10-12-5-6-15(19-2)14(18)8-12;/h5-6,8,13,16,18H,3-4,7,9-11H2,1-2H3;1H
InChIKeyJTZFJGJVUMUBCT-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.25
Rot. Bonds5

About 2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride

2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride (PubChem CID 119930822) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride
PubChem CID119930822
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride
SMILESCOc1ccc(CN(C)CC2CCCNC2)cc1O.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-17(11-13-4-3-7-16-9-13)10-12-5-6-15(19-2)14(18)8-12;/h5-6,8,13,16,18H,3-4,7,9-11H2,1-2H3;1H
InChIKeyJTZFJGJVUMUBCT-UHFFFAOYSA-N
XLogP2.25
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 103815780
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-1-[(3S)-piperidin-3-yl]methanamine
CID 126450801
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815655
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 119301226
1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine
CID 115207629
2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol
CID 63637767
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624044

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride?
The IUPAC name of 2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride (CID 119930822) is 2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride.
What is the SMILES notation for 2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride?
The canonical SMILES for 2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride is COc1ccc(CN(C)CC2CCCNC2)cc1O.Cl.
What is the InChIKey of 2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride?
The InChIKey is JTZFJGJVUMUBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-17(11-13-4-3-7-16-9-13)10-12-5-6-15(19-2)14(18)8-12;/h5-6,8,13,16,18H,3-4,7,9-11H2,1-2H3;1H.
What are the key properties of 2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride?
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride is sourced from PubChem (CID 119930822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).